Chemical Properties of Methyl trans-2-phenyl-1-cyclopropanecarboxylate (CAS 5861-31-4)

InChI

InChI=1S/C11H12O2/c1-13-11(12)10-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-,10+/m0/s1

InChI Key

BQRFZWGTJXCXSR-VHSXEESVSA-N

Formula

C11H12O2

SMILES

COC(=O)C1CC1c1ccccc1

Molecular Weight¹

176.21

CAS

5861-31-4

Other Names

• Methyl 2-phenylcyclopropanecarboxylate, trans-
• trans-Methylcyclopropanecarboxylate, 2-methyl-2-phenyl

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.74; 462.81]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.99100e+01
Coefficient B			1.03952e+00
Coefficient C			-6.76000e-04
Coefficient D			1.59200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.74	J/mol×K	273.00	Calculated Property
Cp,gas	230.29	J/mol×K	353.78	Calculated Property
Cp,gas	277.23	J/mol×K	434.56	Calculated Property
Cp,gas	318.05	J/mol×K	515.33	Calculated Property
Cp,gas	353.27	J/mol×K	596.11	Calculated Property
Cp,gas	383.37	J/mol×K	676.89	Calculated Property
Cp,gas	408.88	J/mol×K	757.67	Calculated Property
Cp,gas	430.28	J/mol×K	838.44	Calculated Property
Cp,gas	448.09	J/mol×K	919.22	Calculated Property
Cp,gas	462.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020025; 0.0004436]	Pa×s	[296.18; 532.54]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.60930e+00
Coefficient B			1.00581e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			296.18
Temperature range, max.			532.54
η	0.0020025	Pa×s	296.18	Calculated Property
η	0.0015186	Pa×s	322.44	Calculated Property
η	0.0012007	Pa×s	348.70	Calculated Property
η	0.0009810	Pa×s	374.97	Calculated Property
η	0.0008231	Pa×s	401.23	Calculated Property
η	0.0007056	Pa×s	427.49	Calculated Property
η	0.0006158	Pa×s	453.75	Calculated Property
η	0.0005454	Pa×s	480.01	Calculated Property
η	0.0004893	Pa×s	506.27	Calculated Property
η	0.0004436	Pa×s	532.54	Calculated Property

Similar Compounds

Find more compounds similar to Methyl trans-2-phenyl-1-cyclopropanecarboxylate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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